Chemical Properties of Antazoline, hydroxy-methoxy, hydrolized, acetylated

Antazoline, hydroxy-methoxy, hydrolized, acetylated

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InChI
InChI=1S/C22H27N3O5/c1-16(26)23-11-12-24-22(28)15-25(14-18-7-5-4-6-8-18)19-9-10-20(30-17(2)27)21(13-19)29-3/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,26)(H,24,28)
InChI Key
LQUPSNUMIFUTGH-UHFFFAOYSA-N
Formula
C22H27N3O5
SMILES
COc1cc(N(CC(=O)NCCNC(C)=O)Cc2ccccc2)ccc1OC(C)=O
Molecular Weight1
413.47
Sources

Physical Properties

Property Value Unit Source
Δf 32.72 kJ/mol Joback Calculated Property
Δfgas -475.00 kJ/mol Joback Calculated Property
Δfus 60.43 kJ/mol Joback Calculated Property
Δvap 110.41 kJ/mol Joback Calculated Property
logPoct/wat 1.879 Crippen Calculated Property
Pc 1575.95 kPa Joback Calculated Property
Tboil 1085.31 K Joback Calculated Property
Tc 1329.27 K Joback Calculated Property
Tfus 747.62 K Joback Calculated Property
Vc 1.194 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1052.22 J/mol×K 1085.31 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 3
=CH- (ring) 8
>N- 1
=C< (ring) 4
-CH2- 4
>NH 2
-CH3 3

Similar Compounds

Antazoline, hydroxy, hydrolized, acetylated. Antazoline, hydrolized, acetylated. Histapyrrodine M (oxo). Bamipine, N-desalkyl, hydroxy, acetylated. Bamipine, hydroxy, acetylated. Bamipine, nor-hydroxy, acetylated. 5-Amino-2-methoxyphenol, N,N,O-tris(trifluoroacetyl)-. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). Noradeptolon, hydroxy, acetylated. Histapyrrodine. 3H-1,4-benzodiazepine-2,5-dione, 1,2,4,5-tetrahydro-1-methyl-4-phenyl-. Benzanilide,3',4',5'-trimethoxy-2-methylamino-,. Tripelenamine M (nor-hydroxy), acetylated. Levomepromazine M (nor-HO-), diacetylated. Levomepromazine M (HO-), monoacetylated.

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